CID 50988017

[1-(2,2-diethoxyethyl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C9H17N3O3
SMILES
CCOC(CN1C=C(N=N1)CO)OCC
InChI
InChI=1S/C9H17N3O3/c1-3-14-9(15-4-2)6-12-5-8(7-13)10-11-12/h5,9,13H,3-4,6-7H2,1-2H3
InChIKey
IFYADEJPZUKXLS-UHFFFAOYSA-N
Compound name
[1-(2,2-diethoxyethyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.127 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.134276 148.2
[M+Na]+ 238.116218 155.5
[M-H]- 214.119724 146.3
[M+NH4]+ 233.160823 163.9
[M+K]+ 254.090158 154.7
[M+H-H2O]+ 198.124260 140.0
[M+HCOO]- 260.125201 167.7
[M+CH3COO]- 274.140851 185.0
[M+Na-2H]- 236.101666 151.5
[M]+ 215.12645142 152.4
[M]- 215.12754858 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.